SCHEMBL7520033

SCHEMBL7520033

CC[CH]c1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC2 Q92769 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
LTA4H P09960 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2186171 0.81 ALDH1A1 (0.42) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8670278 0.80 PRSS1 (0.43) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL4661736 0.79 HDAC8 (0.44) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL4661738 0.79 HDAC8 (0.44) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL1612299 0.79 ALDH1A1 (0.48) TSHRHPGDCA2ALOX5PTGS1
SCHEMBL27902002 0.78 TSHR (0.40) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL3240509 0.77 TSHR (0.43) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL1124751 0.77 ALDH5A1 (0.52) TSHRHPGDHDAC8HDAC2CA12
Alcohol SCHEMBL5686049 0.76 ALDH1A1 (0.50) TSHRHPGDHDAC8HDAC2NOS3
SCHEMBL6937222 0.76 HDAC8 (0.53) TSHRHPGDHDAC8HDAC2PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed